2-phosphonooxypent-3-enoic acid

C5H9O6P — CID 154398520

IUPAC2-phosphonooxypent-3-enoic acid
SMILESCC=CC(OP(=O)(O)O)C(=O)O
InChIInChI=1S/C5H9O6P/c1-2-3-4(5(6)7)11-12(8,9)10/h2-4H,1H3,(H,6,7)(H2,8,9,10)
InChIKeyFZKHRMXLQRKAMU-UHFFFAOYSA-N
MW196.09 g/mol
LogP0.12
Rot. Bonds4

About 2-phosphonooxypent-3-enoic acid

2-phosphonooxypent-3-enoic acid (PubChem CID 154398520) has the molecular formula C5H9O6P and a molecular weight of 196.09 g/mol. Its IUPAC name is 2-phosphonooxypent-3-enoic acid.

Molecular Properties

Compound Name2-phosphonooxypent-3-enoic acid
PubChem CID154398520
Molecular FormulaC5H9O6P
Molecular Weight196.09 g/mol
Exact Mass196.01
IUPAC Name2-phosphonooxypent-3-enoic acid
SMILESCC=CC(OP(=O)(O)O)C(=O)O
InChIInChI=1S/C5H9O6P/c1-2-3-4(5(6)7)11-12(8,9)10/h2-4H,1H3,(H,6,7)(H2,8,9,10)
InChIKeyFZKHRMXLQRKAMU-UHFFFAOYSA-N
XLogP0.12
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.09
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-methoxypent-3-enoic acid
CID 131268395
hepta-3,5-dien-2-yl dihydrogen phosphate
CID 123655665
dicalcium;hydride;2-phosphonooxypropanoic acid
CID 174241121
trimethyl-(3-oxo-2-phosphonooxyhex-4-enyl)azanium
CID 160796745
2-amino-3-phosphonooxybutanoic acid
CID 1016
2-[(E)-prop-1-enyl]propanedioic acid;hydrate
CID 172795597
4-methyl-2-phosphonooxypentanoic acid
CID 123780215
1-phosphonooxyethyl dihydrogen phosphate
CID 14930911
2-oxohex-4-en-3-yl acetate
CID 71362044
acetic acid;phosphono dihydrogen phosphate;phosphoric acid
CID 88733603
3-[hydroxy(1-hydroxybut-2-enyl)phosphoryl]propanoic acid
CID 3580242
(E)-2-ethylpent-3-enoic acid
CID 12678748

Frequently Asked Questions

What is the IUPAC name of 2-phosphonooxypent-3-enoic acid?
The IUPAC name of 2-phosphonooxypent-3-enoic acid (CID 154398520) is 2-phosphonooxypent-3-enoic acid.
What is the SMILES notation for 2-phosphonooxypent-3-enoic acid?
The canonical SMILES for 2-phosphonooxypent-3-enoic acid is CC=CC(OP(=O)(O)O)C(=O)O.
What is the InChIKey of 2-phosphonooxypent-3-enoic acid?
The InChIKey is FZKHRMXLQRKAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O6P/c1-2-3-4(5(6)7)11-12(8,9)10/h2-4H,1H3,(H,6,7)(H2,8,9,10).
What are the key properties of 2-phosphonooxypent-3-enoic acid?
2-phosphonooxypent-3-enoic acid has a molecular weight of 196.09 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phosphonooxypent-3-enoic acid is sourced from PubChem (CID 154398520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).